| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 30 | Yes |
Popular Name: 3-(3-pyridylmethyl)-6-(2-quinolylmethoxy)chroman-4-ol 3-(3-pyridylmethyl)-6-(2-quinoly…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.64 | -2.83 | -12 | 1 | 5 | 0 | 64 | 398.462 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | -2.78 | -37.09 | 2 | 5 | 1 | 65 | 399.47 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | -2.67 | -72.67 | 3 | 5 | 2 | 66 | 400.478 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.64 | -2.71 | -40.35 | 2 | 5 | 1 | 65 | 399.47 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CLTR1-1-E | Cysteinyl Leukotriene Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 650 | 0.29 | Binding ≤ 10μM |
| LOX5-1-E | Arachidonate 5-lipoxygenase (cluster #1 Of 6), Eukaryotic | Eukaryotes | 1900 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CLTR1_HUMAN | Q9Y271 | Cysteinyl Leukotriene Receptor 1, Human | 650 | 0.29 | Binding ≤ 1μM |
| LOX5_RAT | P12527 | Arachidonate 5-lipoxygenase, Rat | 1900 | 0.27 | Binding ≤ 10μM |
| CLTR1_HUMAN | Q9Y271 | Cysteinyl Leukotriene Receptor 1, Human | 1600 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Leukotriene receptors |
